2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate
TL;DR: 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate (CAS 391865-33-1) is a chemical compound with molecular formula C11H12O5S and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylsulfonylphenyl)-2-oxoethyl] acetate
Also Known As: Peakdale1_000573, Imrecoxib Impurity 14, Imrecoxib Impurity 17, 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate, [2-(4-methylsulfonylphenyl)-2-oxoethyl] acetate
| Molecular Formula | C11H12O5S |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 0.8359 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.04056 |
| Heavy Atoms | 17 |
| Complexity | 527.48517 |
Chemical Identifiers
| CAS Number | 391865-33-1 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1=CC=C(C=C1)S(=O)(=O)C |
Product Overview
2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate (CAS 391865-33-1), with molecular formula C11H12O5S and molecular weight 256.04 g/mol. IUPAC: [2-(4-methylsulfonylphenyl)-2-oxoethyl] acetate.
Chemical Property Profile of 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate
Property Insights of 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate
The XLogP value of 0.8359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate. Following Lipinski's Rule of Five, 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate?
The CAS number of 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate is 391865-33-1.
What is the molecular formula of 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate?
The molecular formula of 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate is C11H12O5S.
What is the molecular weight of 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate?
The molecular weight of 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate is 256.04 g/mol.
Where can I buy 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate?
You can request a quote for 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(Methylsulfonyl)phenyl)-2-oxoethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.